Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3286417
Molecular formulaC19H22O4
IUPAC name3-ethoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
Molecular weight314.381
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50019112
SCHEMBL10441605
Inchi KeyABIQGAQPWFFGHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22O4/c1-3-22-18(12-19(20)21)16-8-10-17(11-9-16)23-13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3,(H,20,21)
PubChem CID58172957
ChEMBLCHEMBL3286417
IUPHARN/A
BindingDB50019112
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
885Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
886Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218